SCHEMBL30534077

SCHEMBL30534077

CC(C)C(=O)Nc1nc(Cl)c2ncn([C@@H]3O[C@@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]4[C@]3(F)C#C[Si](C)(C)C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.33
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20841246 1.00 ACHE (0.33) ACHECDK5CDK5R1
SCHEMBL26780422 1.00 ACHE (0.33) ACHECDK5CDK5R1
SCHEMBL18061766 1.00 ACHE (0.33) ACHECDK5CDK5R1
SCHEMBL30534045 0.91 ACHE (0.33) ACHE
SCHEMBL18061770 0.91 ACHE (0.33) ACHE
SCHEMBL26780426 0.91 ACHE (0.33) ACHE
SCHEMBL21136249 0.91 ACHE (0.33) ACHE
SCHEMBL15837298 0.90 CDK5 (0.32) CDK5CDK5R1
SCHEMBL16368155 0.90 CDK5 (0.32) CDK5CDK5R1
SCHEMBL19828068 0.86 ACHE (0.32) ACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234565-A2 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 ATEA Pharmaceuticals, Inc. (US) 2023-08-30 — — EP disclosed
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